5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol

C17H27NO — CID 139217240

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol
SMILESCCC(C)(O)CC(C)(C)N1CCCc2ccccc21
InChIInChI=1S/C17H27NO/c1-5-17(4,19)13-16(2,3)18-12-8-10-14-9-6-7-11-15(14)18/h6-7,9,11,19H,5,8,10,12-13H2,1-4H3
InChIKeyIFYZQSIFRVXNGU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.77
Rot. Bonds4

About 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol

5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol (PubChem CID 139217240) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol
PubChem CID139217240
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol
SMILESCCC(C)(O)CC(C)(C)N1CCCc2ccccc21
InChIInChI=1S/C17H27NO/c1-5-17(4,19)13-16(2,3)18-12-8-10-14-9-6-7-11-15(14)18/h6-7,9,11,19H,5,8,10,12-13H2,1-4H3
InChIKeyIFYZQSIFRVXNGU-UHFFFAOYSA-N
XLogP3.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine
CID 170315346
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 147804034
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-fluoro-3,4-dihydro-2H-quinoline
CID 141340619
2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine
CID 43080726
1-methoxysulfanyl-3,4-dihydro-2H-quinoline
CID 142496325
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal
CID 55050873
1-ditert-butylphosphoryl-3,4-dihydro-2H-quinoline
CID 134985582
1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol (CID 139217240) is 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol is CCC(C)(O)CC(C)(C)N1CCCc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol?
The InChIKey is IFYZQSIFRVXNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-17(4,19)13-16(2,3)18-12-8-10-14-9-6-7-11-15(14)18/h6-7,9,11,19H,5,8,10,12-13H2,1-4H3.
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol?
5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol has a molecular weight of 261.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol is sourced from PubChem (CID 139217240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).